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Compile Data Set for Download or QSAR

Found 46 hits of ki data for polymerid = 50006096   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM36609
PNG
(Rapamycin C-7, analog 4 | SIROLIMUS)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O
Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
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3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125333
PNG
(CHEMBL3623612)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/s2
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4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125330
PNG
(CHEMBL3623630)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C46H62N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h11,14-15,18,20,28-31,33,37-38,43H,6-10,12-13,16-17,19,21-27H2,1-5H3/t37-,38+,43-/s2
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6n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432752
PNG
(FK-506)
Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C\[C@H](C)[C@@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)CC(C)=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
Show InChI InChI=1S/C45H71NO12/c1-10-13-32-21-26(2)20-27(3)22-38(55-8)41-39(56-9)23-29(5)45(53,58-41)42(50)43(51)46-19-12-11-14-33(46)44(52)57-40(30(6)35(48)25-36(32)49)28(4)15-16-31-17-18-34(47)37(24-31)54-7/h10,15-16,21,27-35,37-41,47-48,53H,1,11-14,17-20,22-25H2,2-9H3/b16-15+,26-21+/t27-,28-,29+,30+,31+,32+,33-,34+,35-,37+,38-,39-,40-,41+,45+/m0/s1
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80n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125332
PNG
(CHEMBL3623613)
Show SMILES COc1cc(OC)cc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1/C41H51NO10/c1-47-32-23-30(24-33(25-32)48-2)39(28-11-6-5-7-12-28)40(45)42-20-9-8-15-34(42)41(46)52-35(29-13-10-14-31(22-29)51-26-38(43)44)18-16-27-17-19-36(49-3)37(21-27)50-4/h10,13-14,17,19,21-25,28,34-35,39H,5-9,11-12,15-16,18,20,26H2,1-4H3,(H,43,44)/t34-,35+,39-/s2
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110n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125331
PNG
(CHEMBL3623614)
Show SMILES COc1cccc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1/C40H49NO9/c1-46-31-15-10-14-30(25-31)38(28-11-5-4-6-12-28)39(44)41-22-8-7-17-33(41)40(45)50-34(29-13-9-16-32(24-29)49-26-37(42)43)20-18-27-19-21-35(47-2)36(23-27)48-3/h9-10,13-16,19,21,23-25,28,33-34,38H,4-8,11-12,17-18,20,22,26H2,1-3H3,(H,42,43)/t33-,34+,38-/s2
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160n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50388298
PNG
(CHEMBL2058794)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1S/C35H42Cl2N2O9S/c1-44-32-12-10-24(20-33(32)45-2)9-11-31(25-6-5-7-26(21-25)47-19-16-38-14-17-46-18-15-38)48-35(41)30-8-3-4-13-39(30)49(42,43)27-22-28(36)34(40)29(37)23-27/h5-7,10,12,20-23,30-31,40H,3-4,8-9,11,13-19H2,1-2H3/t30-,31+/m0/s1
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200n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432732
PNG
(CHEMBL2348594)
Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)C2=O)cc1OC
Show InChI InChI=1S/C25H29N3O7S2/c1-33-21-9-6-17(14-22(21)34-2)35-13-12-27-11-10-16-4-3-5-20(24(27)29)28(16)37(31,32)18-7-8-19-23(15-18)36-25(30)26-19/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,26,30)
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300n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125329
PNG
(CHEMBL3623615)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C39H47NO8/c1-45-34-22-20-27(24-35(34)46-2)19-21-33(30-16-11-17-31(25-30)47-26-36(41)42)48-39(44)32-18-9-10-23-40(32)38(43)37(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3,5-6,11-13,16-17,20,22,24-25,29,32-33,37H,4,7-10,14-15,18-19,21,23,26H2,1-2H3,(H,41,42)/t32-,33+,37+/s2
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600n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125257
PNG
(CHEMBL3623623)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@@H](C)O)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C39H56N2O8/c1-28(42)37(30-10-5-4-6-11-30)38(43)41-19-8-7-14-33(41)39(44)49-34(17-15-29-16-18-35(45-2)36(26-29)46-3)31-12-9-13-32(27-31)48-25-22-40-20-23-47-24-21-40/h9,12-13,16,18,26-28,30,33-34,37,42H,4-8,10-11,14-15,17,19-25H2,1-3H3/t28-,33+,34-,37-/s2
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700n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432740
PNG
(CHEMBL2348599)
Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1OC
Show InChI InChI=1S/C24H28Cl2N2O7S/c1-33-21-7-6-16(12-22(21)34-2)35-11-10-27-9-8-15-4-3-5-20(24(27)30)28(15)36(31,32)17-13-18(25)23(29)19(26)14-17/h6-7,12-15,20,29H,3-5,8-11H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125338
PNG
(CHEMBL3623625)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@H](O)\C=C\C)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C41H58N2O8/c1-4-11-35(44)39(31-12-6-5-7-13-31)40(45)43-21-9-8-16-34(43)41(46)51-36(19-17-30-18-20-37(47-2)38(28-30)48-3)32-14-10-15-33(29-32)50-27-24-42-22-25-49-26-23-42/h4,10-11,14-15,18,20,28-29,31,34-36,39,44H,5-9,12-13,16-17,19,21-27H2,1-3H3/b11-4+/t34-,35+,36+,39-/s2
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1.10E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432748
PNG
(CHEMBL2348587)
Show SMILES COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H26Cl2N2O6S/c1-31-21-7-6-18(13-22(21)32-2)33-9-8-26-14-17-4-3-5-20(23(26)28)27(17)34(29,30)19-11-15(24)10-16(25)12-19/h6-7,10-13,17,20H,3-5,8-9,14H2,1-2H3
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1.20E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125327
PNG
(CHEMBL3623617)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C34H45NO8/c1-23(25-10-5-4-6-11-25)33(38)35-19-8-7-14-28(35)34(39)43-29(26-12-9-13-27(21-26)42-22-32(36)37)17-15-24-16-18-30(40-2)31(20-24)41-3/h9,12-13,16,18,20-21,23,25,28-29H,4-8,10-11,14-15,17,19,22H2,1-3H3,(H,36,37)/t23-,28+,29-/s2
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1.20E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125324
PNG
(CHEMBL3623620)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CO)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C38H54N2O8/c1-44-35-17-15-28(25-36(35)45-2)14-16-34(30-11-8-12-31(26-30)47-24-21-39-19-22-46-23-20-39)48-38(43)33-13-6-7-18-40(33)37(42)32(27-41)29-9-4-3-5-10-29/h8,11-12,15,17,25-26,29,32-34,41H,3-7,9-10,13-14,16,18-24,27H2,1-2H3/t32-,33+,34-/s2
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2.00E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125261
PNG
(CHEMBL3623622)
Show SMILES COCO[C@H](C)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1/C41H60N2O9/c1-30(51-29-46-2)39(32-11-6-5-7-12-32)40(44)43-20-9-8-15-35(43)41(45)52-36(18-16-31-17-19-37(47-3)38(27-31)48-4)33-13-10-14-34(28-33)50-26-23-42-21-24-49-25-22-42/h10,13-14,17,19,27-28,30,32,35-36,39H,5-9,11-12,15-16,18,20-26,29H2,1-4H3/t30-,35+,36-,39-/s2
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2.00E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125323
PNG
(CHEMBL3623621)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](COC(C)=O)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C40H56N2O9/c1-29(43)50-28-34(31-10-5-4-6-11-31)39(44)42-19-8-7-14-35(42)40(45)51-36(17-15-30-16-18-37(46-2)38(26-30)47-3)32-12-9-13-33(27-32)49-25-22-41-20-23-48-24-21-41/h9,12-13,16,18,26-27,31,34-36H,4-8,10-11,14-15,17,19-25,28H2,1-3H3/t34-,35+,36-/s2
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2.10E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432745
PNG
(CHEMBL2348591)
Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3ccc4ncsc4c3)C2=O)cc1OC
Show InChI InChI=1S/C25H29N3O6S2/c1-32-22-9-6-18(14-23(22)33-2)34-13-12-27-11-10-17-4-3-5-21(25(27)29)28(17)36(30,31)19-7-8-20-24(15-19)35-16-26-20/h6-9,14-17,21H,3-5,10-13H2,1-2H3
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2.10E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125363
PNG
(CHEMBL3623624)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)C(C)=O)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C39H54N2O8/c1-28(42)37(30-10-5-4-6-11-30)38(43)41-19-8-7-14-33(41)39(44)49-34(17-15-29-16-18-35(45-2)36(26-29)46-3)31-12-9-13-32(27-31)48-25-22-40-20-23-47-24-21-40/h9,12-13,16,18,26-27,30,33-34,37H,4-8,10-11,14-15,17,19-25H2,1-3H3/t33-,34+,37+/s2
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2.50E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50132556
PNG
((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125328
PNG
(CHEMBL3623616)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C36H47NO8/c1-4-11-29(26-12-6-5-7-13-26)35(40)37-21-9-8-16-30(37)36(41)45-31(27-14-10-15-28(23-27)44-24-34(38)39)19-17-25-18-20-32(42-2)33(22-25)43-3/h4,10,14-15,18,20,22-23,26,29-31H,1,5-9,11-13,16-17,19,21,24H2,2-3H3,(H,38,39)/t29-,30+,31-/s2
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3.40E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125325
PNG
(CHEMBL3623619)
Show SMILES COCOC[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1/C40H58N2O9/c1-45-29-49-28-34(31-10-5-4-6-11-31)39(43)42-19-8-7-14-35(42)40(44)51-36(17-15-30-16-18-37(46-2)38(26-30)47-3)32-12-9-13-33(27-32)50-25-22-41-20-23-48-24-21-41/h9,12-13,16,18,26-27,31,34-36H,4-8,10-11,14-15,17,19-25,28-29H2,1-3H3/t34-,35+,36-/s2
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4.10E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125326
PNG
(CHEMBL3623618)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)CC2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C33H43NO8/c1-39-29-17-15-24(19-30(29)40-2)14-16-28(25-11-8-12-26(21-25)41-22-32(36)37)42-33(38)27-13-6-7-18-34(27)31(35)20-23-9-4-3-5-10-23/h8,11-12,15,17,19,21,23,27-28H,3-7,9-10,13-14,16,18,20,22H2,1-2H3,(H,36,37)/t27-,28+/s2
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4.20E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432734
PNG
(CHEMBL2348592)
Show SMILES COc1ccc(OCCOC(=O)C2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1OC
Show InChI InChI=1S/C23H26N2O8S2/c1-30-19-9-6-15(13-20(19)31-2)32-11-12-33-22(26)18-5-3-4-10-25(18)35(28,29)16-7-8-17-21(14-16)34-23(27)24-17/h6-9,13-14,18H,3-5,10-12H2,1-2H3,(H,24,27)
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7.60E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432747
PNG
(CHEMBL2348588)
Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)cc1OC
Show InChI InChI=1S/C24H28Cl2N2O6S/c1-32-22-7-6-19(15-23(22)33-2)34-11-10-27-9-8-18-4-3-5-21(24(27)29)28(18)35(30,31)20-13-16(25)12-17(26)14-20/h6-7,12-15,18,21H,3-5,8-11H2,1-2H3
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8.80E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125335
PNG
(CHEMBL3623628)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@H](O)CC(C)C)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C42H62N2O8/c1-30(2)27-36(45)40(32-11-6-5-7-12-32)41(46)44-20-9-8-15-35(44)42(47)52-37(18-16-31-17-19-38(48-3)39(28-31)49-4)33-13-10-14-34(29-33)51-26-23-43-21-24-50-25-22-43/h10,13-14,17,19,28-30,32,35-37,40,45H,5-9,11-12,15-16,18,20-27H2,1-4H3/t35-,36+,37+,40-/s2
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9.00E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432742
PNG
(CHEMBL2348597)
Show SMILES O=C1NCCC2CCCC1N2S(=O)(=O)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C15H17N3O4S2/c19-14-12-3-1-2-9(6-7-16-14)18(12)24(21,22)10-4-5-11-13(8-10)23-15(20)17-11/h4-5,8-9,12H,1-3,6-7H2,(H,16,19)(H,17,20)
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9.80E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125337
PNG
(CHEMBL3623626)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H]([C@H](O)C(C)C)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C41H60N2O8/c1-29(2)39(44)38(31-11-6-5-7-12-31)40(45)43-20-9-8-15-34(43)41(46)51-35(18-16-30-17-19-36(47-3)37(27-30)48-4)32-13-10-14-33(28-32)50-26-23-42-21-24-49-25-22-42/h10,13-14,17,19,27-29,31,34-35,38-39,44H,5-9,11-12,15-16,18,20-26H2,1-4H3/t34-,35+,38+,39+/s2
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1.30E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50388280
PNG
(CHEMBL2058234)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C31H33Cl2NO9S/c1-40-28-12-10-20(14-29(28)41-2)9-11-27(21-6-5-7-24(15-21)42-19-30(35)36)43-31(37)26-8-3-4-13-34(26)44(38,39)25-17-22(32)16-23(33)18-25/h5-7,10,12,14-18,26-27H,3-4,8-9,11,13,19H2,1-2H3,(H,35,36)/t26-,27+/m0/s1
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1.38E+4n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432733
PNG
(CHEMBL2348593)
Show SMILES COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)C2=O)cc1OC
Show InChI InChI=1S/C24H27N3O7S2/c1-32-20-9-6-16(12-21(20)33-2)34-11-10-26-14-15-4-3-5-19(23(26)28)27(15)36(30,31)17-7-8-18-22(13-17)35-24(29)25-18/h6-9,12-13,15,19H,3-5,10-11,14H2,1-2H3,(H,25,29)
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1.39E+4n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125336
PNG
(CHEMBL3623627)
Show SMILES COCO[C@H](CC(C)C)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1/C44H66N2O9/c1-32(2)28-41(54-31-49-3)42(34-12-7-6-8-13-34)43(47)46-21-10-9-16-37(46)44(48)55-38(19-17-33-18-20-39(50-4)40(29-33)51-5)35-14-11-15-36(30-35)53-27-24-45-22-25-52-26-23-45/h11,14-15,18,20,29-30,32,34,37-38,41-42H,6-10,12-13,16-17,19,21-28,31H2,1-5H3/t37-,38+,41+,42-/s2
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1.70E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432739
PNG
(CHEMBL2348604)
Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@]3(C)c2c(OC)c1
Show InChI InChI=1S/C29H34N2O8/c1-29-23-9-7-8-19(27(33)30(29)11-10-16-12-18(35-2)15-20(36-3)24(16)29)31(23)28(34)25(32)17-13-21(37-4)26(39-6)22(14-17)38-5/h12-15,19,23H,7-11H2,1-6H3/t19?,23?,29-/m0/s1
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1.81E+4n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432749
PNG
(CHEMBL2348611)
Show SMILES COc1ccc(OCCN2CCC3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC
Show InChI InChI=1S/C29H36N2O9/c1-35-22-10-9-20(17-23(22)36-2)40-14-13-30-12-11-19-7-6-8-21(28(30)33)31(19)29(34)26(32)18-15-24(37-3)27(39-5)25(16-18)38-4/h9-10,15-17,19,21H,6-8,11-14H2,1-5H3
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2.37E+4n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432743
PNG
(CHEMBL2348596)
Show SMILES O=C1NCC2CCCC1N2S(=O)(=O)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C14H15N3O4S2/c18-13-11-3-1-2-8(7-15-13)17(11)23(20,21)9-4-5-10-12(6-9)22-14(19)16-10/h4-6,8,11H,1-3,7H2,(H,15,18)(H,16,19)
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2.70E+4n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432750
PNG
(CHEMBL2348610)
Show SMILES COc1ccc(OCCN2CC3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC
Show InChI InChI=1S/C28H34N2O9/c1-34-21-10-9-19(15-22(21)35-2)39-12-11-29-16-18-7-6-8-20(27(29)32)30(18)28(33)25(31)17-13-23(36-3)26(38-5)24(14-17)37-4/h9-10,13-15,18,20H,6-8,11-12,16H2,1-5H3
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5.11E+4n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432746
PNG
(CHEMBL2348590)
Show SMILES COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3ccc4ncsc4c3)C2=O)cc1OC
Show InChI InChI=1S/C24H27N3O6S2/c1-31-21-9-6-17(12-22(21)32-2)33-11-10-26-14-16-4-3-5-20(24(26)28)27(16)35(29,30)18-7-8-19-23(13-18)34-15-25-19/h6-9,12-13,15-16,20H,3-5,10-11,14H2,1-2H3
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6.48E+4n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432736
PNG
(CHEMBL2348607)
Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4S(=O)(=O)c4cc(Cl)cc(Cl)c4)[C@@]3(C)c2c(OC)c1
Show InChI InChI=1S/C24H26Cl2N2O5S/c1-24-21-6-4-5-19(28(21)34(30,31)18-11-15(25)10-16(26)12-18)23(29)27(24)8-7-14-9-17(32-2)13-20(33-3)22(14)24/h9-13,19,21H,4-8H2,1-3H3/t19?,21?,24-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125334
PNG
(CHEMBL3623629)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H]([C@H](O)c2ccccc2)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C44H58N2O8/c1-50-39-22-20-32(30-40(39)51-2)19-21-38(35-16-11-17-36(31-35)53-29-26-45-24-27-52-28-25-45)54-44(49)37-18-9-10-23-46(37)43(48)41(33-12-5-3-6-13-33)42(47)34-14-7-4-8-15-34/h4,7-8,11,14-17,20,22,30-31,33,37-38,41-42,47H,3,5-6,9-10,12-13,18-19,21,23-29H2,1-2H3/t37-,38+,41+,42+/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432741
PNG
(CHEMBL2348598)
Show SMILES CCN1CC2CCCC(N2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C20H26N2O6/c1-5-21-11-13-7-6-8-14(19(21)24)22(13)20(25)17(23)12-9-15(26-2)18(28-4)16(10-12)27-3/h9-10,13-14H,5-8,11H2,1-4H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432744
PNG
(CHEMBL2348595)
Show SMILES CCOC(=O)C1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C15H18N2O5S2/c1-2-22-14(18)12-5-3-4-8-17(12)24(20,21)10-6-7-11-13(9-10)23-15(19)16-11/h6-7,9,12H,2-5,8H2,1H3,(H,16,19)
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432737
PNG
(CHEMBL2348606)
Show SMILES CCC(C)(C)C(=O)C(=O)N1[C@H]2CCCC1[C@]1(C)N(CCc3cc(OC)cc(OC)c13)C2=O
Show InChI InChI=1S/C25H34N2O5/c1-7-24(2,3)21(28)23(30)27-17-9-8-10-19(27)25(4)20-15(11-12-26(25)22(17)29)13-16(31-5)14-18(20)32-6/h13-14,17,19H,7-12H2,1-6H3/t17?,19?,25-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50388294
PNG
(CHEMBL2058790)
Show SMILES COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC
Show InChI InChI=1S/C22H25Cl2NO7S/c1-29-20-7-6-17(14-21(20)30-2)31-9-10-32-22(26)19-5-3-4-8-25(19)33(27,28)18-12-15(23)11-16(24)13-18/h6-7,11-14,19H,3-5,8-10H2,1-2H3/t19-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432738
PNG
(CHEMBL2348605)
Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4C(=O)C(=O)[C@]4(C)CCCC[C@H]4C)[C@@]3(C)c2c(OC)c1
Show InChI InChI=1S/C28H38N2O5/c1-17-9-6-7-13-27(17,2)24(31)26(33)30-20-10-8-11-22(30)28(3)23-18(12-14-29(28)25(20)32)15-19(34-4)16-21(23)35-5/h15-17,20,22H,6-14H2,1-5H3/t17-,20?,22?,27-,28+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432751
PNG
(CHEMBL2348609)
Show SMILES COc1ccc(OCCOC(=O)C2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H33NO10/c1-32-20-10-9-18(16-21(20)33-2)37-12-13-38-27(31)19-8-6-7-11-28(19)26(30)24(29)17-14-22(34-3)25(36-5)23(15-17)35-4/h9-10,14-16,19H,6-8,11-13H2,1-5H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50388295
PNG
(CHEMBL2058791)
Show SMILES COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)cc1OC
Show InChI InChI=1S/C23H26N2O7S2/c1-29-20-9-6-16(13-21(20)30-2)31-11-12-32-23(26)19-5-3-4-10-25(19)34(27,28)17-7-8-18-22(14-17)33-15-24-18/h6-9,13-15,19H,3-5,10-12H2,1-2H3/t19-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432735
PNG
(CHEMBL2348608)
Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4S(=O)(=O)c4cc(Cl)c(O)c(Cl)c4)[C@@]3(C)c2c(OC)c1
Show InChI InChI=1S/C24H26Cl2N2O6S/c1-24-20-6-4-5-18(28(20)35(31,32)15-11-16(25)22(29)17(26)12-15)23(30)27(24)8-7-13-9-14(33-2)10-19(34-3)21(13)24/h9-12,18,20,29H,4-8H2,1-3H3/t18?,20?,24-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair